SCHEMBL10852188

SCHEMBL10852188

CC(=O)c1ccc2c(c1)[C@H](N1CCCC1=O)[C@@H](OC=O)C(C)(C)O2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 2/20 0.51
▸ ABCC8 Q09428 2/20 0.51
▸ KCNJ11 Q14654 2/20 0.51
▸ KCNJ8 Q15842 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.34
▸ PGR P06401 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11081340 1.00 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10849485 0.97 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL11081002 0.97 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10635641 0.85 ABCC9 (0.69) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10635651 0.85 ABCC9 (0.69) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10635636 0.85 ABCC9 (0.69) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL11069563 0.83 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10850253 0.83 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10852038 0.83 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10852034 0.83 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126350-A1 Novel compounds BEECHAM GROUP PLC (GB) 1984-11-28 — — EP claimed
US-4629734-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1986-12-16 — — US disclosed
EP-0126350-A1 Novel compounds BEECHAM GROUP PLC (GB) 1984-11-28 — — EP disclosed
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